2-(4-chlorophenyl)-1,1-dimethoxypropan-2-ol

C11H15ClO3 — CID 66039095

IUPAC2-(4-chlorophenyl)-1,1-dimethoxypropan-2-ol
SMILESCOC(OC)C(C)(O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO3/c1-11(13,10(14-2)15-3)8-4-6-9(12)7-5-8/h4-7,10,13H,1-3H3
InChIKeyKDPKPDUCFATUEG-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.17
Rot. Bonds4

About 2-(4-chlorophenyl)-1,1-dimethoxypropan-2-ol

2-(4-chlorophenyl)-1,1-dimethoxypropan-2-ol (PubChem CID 66039095) has the molecular formula C11H15ClO3 and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,1-dimethoxypropan-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,1-dimethoxypropan-2-ol
PubChem CID66039095
Molecular FormulaC11H15ClO3
Molecular Weight230.69 g/mol
Exact Mass230.07
IUPAC Name2-(4-chlorophenyl)-1,1-dimethoxypropan-2-ol
SMILESCOC(OC)C(C)(O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO3/c1-11(13,10(14-2)15-3)8-4-6-9(12)7-5-8/h4-7,10,13H,1-3H3
InChIKeyKDPKPDUCFATUEG-UHFFFAOYSA-N
XLogP2.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652
3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid
CID 62396227
1-amino-1-(4-chlorophenyl)ethanol
CID 23370677
2-(2,3-dichlorophenyl)-1,1-dimethoxypropan-2-ol
CID 66037184
3-(4-chlorophenyl)-2-ethyl-3-hydroxybutanenitrile
CID 79130917
1,1-dimethoxy-2-(2-methylquinolin-6-yl)propan-2-ol
CID 81216505
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
2-(4-chlorophenyl)-3-piperidin-1-ylbutan-2-ol
CID 90871387
2-(4-chlorophenyl)pentan-2-ol
CID 23555553
1-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60794087
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
1-chloro-4-(1,1-dichloroethyl)benzene
CID 12861387

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1,1-dimethoxypropan-2-ol?
The IUPAC name of 2-(4-chlorophenyl)-1,1-dimethoxypropan-2-ol (CID 66039095) is 2-(4-chlorophenyl)-1,1-dimethoxypropan-2-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-1,1-dimethoxypropan-2-ol?
The canonical SMILES for 2-(4-chlorophenyl)-1,1-dimethoxypropan-2-ol is COC(OC)C(C)(O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1,1-dimethoxypropan-2-ol?
The InChIKey is KDPKPDUCFATUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3/c1-11(13,10(14-2)15-3)8-4-6-9(12)7-5-8/h4-7,10,13H,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-1,1-dimethoxypropan-2-ol?
2-(4-chlorophenyl)-1,1-dimethoxypropan-2-ol has a molecular weight of 230.69 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1,1-dimethoxypropan-2-ol is sourced from PubChem (CID 66039095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).